Cas no 89210-31-1 (Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro-)
89210-31-1 structure
Product Name:Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro-
CAS No:89210-31-1
MF:C9H10BrNO2
MW:244.085201740265
CID:608686
PubChem ID:71322733
Update Time:2025-04-19
Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro-
- 2-(bromomethyl)-1,3-dimethyl-5-nitrobenzene
- 89210-31-1
- DTXSID90752384
-
- Inchi： 1S/C9H10BrNO2/c1-6-3-8(11(12)13)4-7(2)9(6)5-10/h3-4H,5H2,1-2H3
- InChI Key： WKMKJIXIVRQQRU-UHFFFAOYSA-N
- SMILES： BrCC1C(C)=CC(=CC=1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 242.98949g/mol
- Monoisotopic Mass: 242.98949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 181
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 45.8?2
Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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